input word = C00062126

Metabolite InformationStructural formula
Name (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
Formula C17H20O9
Mw 368.11073224
CAS RN 53905-80-9
C_ID C00062126
InChIKey RAGZUCNPTLULOL-MDRZDLKXSA-N
InChICode InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/t11-,13-,15-,17+/m1/s1
SMILES COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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